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Concept information

Preferred term

verruculide b2  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C25H36O7

inchi

  • InChI=1S/C25H36O7/c1-14(7-9-20(28)25(5)11-10-21(32-25)24(3,4)30)6-8-16-17-12-15(2)31-23(29)22(17)19(27)13-18(16)26/h6,13,15,20-21,26-28,30H,7-12H2,1-5H3/b14-6+/t15-,20?,21+,25-/m1/s1

inchikey

  • LOGCDVOTLLOBOP-HTLCBBTNSA-N

mass

  • 448.556

monoisotopicmass

  • 448.24610

smiles

  • O=C1O[C@@H](CC=2C1=C(O)C=C(O)C2C/C=C(/CCC(O)[C@@]3(O[C@H](C(O)(C)C)CC3)C)/C)C

subset

  • 2_STAR

synonym EXACT

  • (3R)-6,8-dihydroxy-5-[(E)-6-hydroxy-6-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-enyl]-3-methyl-3,4-dihydroisochromen-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207044

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